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DocumentationIdentifier: MM58556
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58556 |
| SMILES |
CC(C)C(C)NCC(N)=O
|
| InChIKey |
DSFDHRHEXRPZHC-UHFFFAOYSA-N
|
| MW [Da] |
144.22
Automatically obtained from RDkit software. |
| LogP |
0.11
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52977
Similarity: 0.8043
Similarity to MM52977
| Tanimoto metric | 0.8043 |
|---|---|
| Cosine metric | 0.8969 |
| Dice metric | 0.8916 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM340672
Similarity: 0.74
Similarity to MM340672
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8506 |
| MW: | 144.22 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM162079
Similarity: 0.7065
Similarity to MM162079
| Tanimoto metric | 0.7065 |
|---|---|
| Cosine metric | 0.8405 |
| Dice metric | 0.828 |
| MW: | 129.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+328 more
